SCHEMBL5849422

SCHEMBL5849422

CN(O)C(=O)c1cc2c3ccccc3n(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
CNR2 P34972 3/20 0.44
TSPO P30536 1/20 0.43
LMNA P02545 1/20 0.43
EPHX2 P34913 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MCL1 Q07820 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC10 Q969S8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC2 Q92769 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27899787 0.85 MEN1 (0.50) MEN1TSHRKMT2ACNR2LMNA
SCHEMBL5851593 0.83 HDAC6 (0.57) MEN1TSHRKMT2ACNR2EPHX2
SCHEMBL5849609 0.82 CNR2 (0.40) TSHRCNR2TP53ALDH1A1
SCHEMBL5849866 0.82 CNR2 (0.66) MEN1TSHRKMT2ACNR2TSPO
SCHEMBL28375953 0.80 CNR2 (0.49) MEN1TSHRKMT2ACNR2EPHX2
SCHEMBL27917520 0.80 CNR2 (0.48) MEN1TSHRKMT2ACNR2TSPO
SCHEMBL2215683 0.77 CYP19A1 (0.57) MEN1KMT2ACNR2SMN1; SMN2KDM4E
SCHEMBL4798568 0.76 THRB (0.39)
SCHEMBL27979857 0.76 TSHR (0.51) MEN1TSHRKMT2ALMNAEPHX2
SCHEMBL2950609 0.76 MAOB (0.51) TSHRLMNAEPHX2SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001912-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-02-21 US claimed
US-7138408-B2 HIV integrase inhibitors, pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-20060122211-A1 HIV integrase inhibitors, pharmaceutical compositions and methods for their use AGOURON PHARMACEUTICALS, INC. 2006-06-08 US disclosed
US-7001912-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-02-21 US disclosed
US-20050165040-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2005-07-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060122211-A1 HIV integrase inhibitors, pharmaceutical compositions and methods for their use POLB, POLA1, TYMP MEN1 4206/4885TSHR 4820/4885KMT2A 835/4885
US-20050165040-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use POLB, APOBEC3C, IDH3A MEN1 4112/4885TSHR 4826/4885KMT2A 938/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.